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Title: Materials Data on CsCu2I3 by Materials Project

Abstract

CsCu2I3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.18 Å. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are two shorter (2.64 Å) and two longer (2.68 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23431
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsCu2I3; Cs-Cu-I
OSTI Identifier:
1199506
DOI:
https://doi.org/10.17188/1199506

Citation Formats

The Materials Project. Materials Data on CsCu2I3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199506.
The Materials Project. Materials Data on CsCu2I3 by Materials Project. United States. doi:https://doi.org/10.17188/1199506
The Materials Project. 2020. "Materials Data on CsCu2I3 by Materials Project". United States. doi:https://doi.org/10.17188/1199506. https://www.osti.gov/servlets/purl/1199506. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199506,
title = {Materials Data on CsCu2I3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCu2I3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.18 Å. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are two shorter (2.64 Å) and two longer (2.68 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.},
doi = {10.17188/1199506},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}